SCHEMBL5458343

SCHEMBL5458343

COc1cc2c(cc1OC)CN(CCNC(=S)NCC(c1ccccc1)c1ccccc1)CC2

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.53
DRD2 P14416 1/20 0.53
DRD3 P35462 1/20 0.53
DRD4 P21917 1/20 0.48
ABCB1 P08183 2/20 0.48
ABCG2 Q9UNQ0 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5461241 0.88 SIGMAR1 (0.53) SIGMAR1DRD2DRD3DRD4ABCB1
SCHEMBL5456113 0.86 DRD2 (0.44) SIGMAR1DRD2DRD3DRD4
SCHEMBL5447833 0.80 ALDH1A1 (0.65)
SCHEMBL5454626 0.80 SIGMAR1 (0.58) SIGMAR1DRD2DRD3DRD4ABCB1
SCHEMBL5458346 0.79 ABCB1 (0.49) SIGMAR1DRD2DRD3DRD4ABCB1
SCHEMBL5461247 0.77 SIGMAR1 (0.56) SIGMAR1DRD2DRD3DRD4ABCB1
SCHEMBL5454057 0.77 ABCB1 (0.54) SIGMAR1DRD2DRD3DRD4ABCB1
SCHEMBL5458468 0.74 DRD2 (0.44) SIGMAR1DRD2DRD3DRD4
SCHEMBL23023083 0.74 KDM4E (0.59) SIGMAR1DRD2DRD3ABCB1ABCG2
SCHEMBL4042171 0.72 SIGMAR1 (0.71) SIGMAR1DRD2DRD3DRD4ABCB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070043024-A1 Azacyclic compounds as inhibitors of sensory neurone specific channels IONIX PHARMACEUTICALS LIMITED (GB) 2007-02-22 US disclosed
EP-1660454-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC CHANNELS Vernalis (R&D) Limited (GB) 2006-05-31 EP disclosed
WO-2005005392-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC CHANNELS IONIX PHARMACEUTICALS LIMITED (GB) 2005-01-20 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070043024-A1 Azacyclic compounds as inhibitors of sensory neurone specific channels SCN1B, SCN1A, SCN10A SIGMAR1 215/4885DRD2 1065/4885DRD3 1782/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.